1-(2-hydroxy-3,5-dimethylcyclohexen-1-yl)ethanone

C10H16O2 — CID 140897650

IUPAC1-(2-hydroxy-3,5-dimethylcyclohexen-1-yl)ethanone
SMILESCC(=O)C1=C(O)C(C)CC(C)C1
InChIInChI=1S/C10H16O2/c1-6-4-7(2)10(12)9(5-6)8(3)11/h6-7,12H,4-5H2,1-3H3
InChIKeySLBKHNRMTVOGJE-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.45
Rot. Bonds1

About 1-(2-hydroxy-3,5-dimethylcyclohexen-1-yl)ethanone

1-(2-hydroxy-3,5-dimethylcyclohexen-1-yl)ethanone (PubChem CID 140897650) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2-hydroxy-3,5-dimethylcyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-3,5-dimethylcyclohexen-1-yl)ethanone
PubChem CID140897650
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(2-hydroxy-3,5-dimethylcyclohexen-1-yl)ethanone
SMILESCC(=O)C1=C(O)C(C)CC(C)C1
InChIInChI=1S/C10H16O2/c1-6-4-7(2)10(12)9(5-6)8(3)11/h6-7,12H,4-5H2,1-3H3
InChIKeySLBKHNRMTVOGJE-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylcyclohexene-1,2-dicarbonyl bromide
CID 139716359
1-(2-hydroxy-4-propan-2-ylcyclopenten-1-yl)ethanone
CID 140897721
1-(1,2,5,7-tetramethyl-2,3,6,7-tetrahydroazepin-4-yl)ethanone
CID 20672114
1-(2-methyl-5-methylsulfanyl-2,3-dihydrothiophen-4-yl)ethanone
CID 154711855
1,4-dimethyl-2-methylidenecyclopentane;ethane
CID 144973768
1,2,3,5-tetramethylcyclohexene
CID 12751060
1,3,5-trimethyl-2-methylidenecyclohexane
CID 58661247
1-(4-methylcyclopenten-1-yl)ethanone
CID 67159901
2-(3,5-dimethylcyclohexylidene)acetic acid
CID 64753598
(Z)-5-(2,4-dimethylcyclopenten-1-yl)-4-ethyl-3-propan-2-ylhex-4-en-2-one
CID 70991047
6-acetyl-2-methyl-2,3-dihydronaphthalene-1,4-dione
CID 142994874
(4S,6R)-4,6-dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
CID 124512582

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3,5-dimethylcyclohexen-1-yl)ethanone?
The IUPAC name of 1-(2-hydroxy-3,5-dimethylcyclohexen-1-yl)ethanone (CID 140897650) is 1-(2-hydroxy-3,5-dimethylcyclohexen-1-yl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-3,5-dimethylcyclohexen-1-yl)ethanone?
The canonical SMILES for 1-(2-hydroxy-3,5-dimethylcyclohexen-1-yl)ethanone is CC(=O)C1=C(O)C(C)CC(C)C1.
What is the InChIKey of 1-(2-hydroxy-3,5-dimethylcyclohexen-1-yl)ethanone?
The InChIKey is SLBKHNRMTVOGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-4-7(2)10(12)9(5-6)8(3)11/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 1-(2-hydroxy-3,5-dimethylcyclohexen-1-yl)ethanone?
1-(2-hydroxy-3,5-dimethylcyclohexen-1-yl)ethanone has a molecular weight of 168.24 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3,5-dimethylcyclohexen-1-yl)ethanone is sourced from PubChem (CID 140897650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).